General Information of the Compound
| Compound ID |
CP0453059
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| Compound Name |
2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide
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| Structure |
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| Formula |
C35H49NO5
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| Molecular Weight |
563.779
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| Canonical SMILES |
CCCCCCCCCCCCCCCCCCNC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
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| InChI |
InChI=1S/C35H49NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-36-34(39)27-40-29-24-30(37)35-31(38)26-32(41-33(35)25-29)28-21-18-17-19-22-28/h17-19,21-22,24-26,37H,2-16,20,23,27H2,1H3,(H,36,39)
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| InChIKey |
UESVIKXUQPDQCL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound